2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

C15H16ClN7O3 — CID 19485764

IUPAC2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCn1cc(Cn2cc(Cl)c(NC(=O)Cn3nccc3C(=O)O)n2)cn1
InChIInChI=1S/C15H16ClN7O3/c1-2-21-6-10(5-18-21)7-22-8-11(16)14(20-22)19-13(24)9-23-12(15(25)26)3-4-17-23/h3-6,8H,2,7,9H2,1H3,(H,25,26)(H,19,20,24)
InChIKeyBLWGCEOVHQCCKT-UHFFFAOYSA-N
MW377.79 g/mol
LogP1.33
Rot. Bonds7

About 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485764) has the molecular formula C15H16ClN7O3 and a molecular weight of 377.79 g/mol. Its IUPAC name is 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485764
Molecular FormulaC15H16ClN7O3
Molecular Weight377.79 g/mol
Exact Mass377.10
IUPAC Name2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCn1cc(Cn2cc(Cl)c(NC(=O)Cn3nccc3C(=O)O)n2)cn1
InChIInChI=1S/C15H16ClN7O3/c1-2-21-6-10(5-18-21)7-22-8-11(16)14(20-22)19-13(24)9-23-12(15(25)26)3-4-17-23/h3-6,8H,2,7,9H2,1H3,(H,25,26)(H,19,20,24)
InChIKeyBLWGCEOVHQCCKT-UHFFFAOYSA-N
XLogP1.33
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522929
2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19524682
(E)-N-(1-benzyl-4-chloropyrazol-3-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19400807
2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485417
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide
CID 19525377
2-[3-[[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492226
2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485720
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
2-[2-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485687
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19525593
(E)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19409255

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485764) is 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is CCn1cc(Cn2cc(Cl)c(NC(=O)Cn3nccc3C(=O)O)n2)cn1.
What is the InChIKey of 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is BLWGCEOVHQCCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O3/c1-2-21-6-10(5-18-21)7-22-8-11(16)14(20-22)19-13(24)9-23-12(15(25)26)3-4-17-23/h3-6,8H,2,7,9H2,1H3,(H,25,26)(H,19,20,24).
What are the key properties of 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 377.79 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).